(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene

C20H22FN5O — CID 137013977

IUPAC(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene
SMILESFc1cc2cc(c1)-c1cnn3ccc(nc13)NC[C@H]1CCCN1CCCO2
InChIInChI=1S/C20H22FN5O/c21-15-9-14-10-17(11-15)27-8-2-6-25-5-1-3-16(25)12-22-19-4-7-26-20(24-19)18(14)13-23-26/h4,7,9-11,13,16H,1-3,5-6,8,12H2,(H,22,24)/t16-/m1/s1
InChIKeyKLHLBYYXDWZTGO-MRXNPFEDSA-N
MW367.43 g/mol
LogP3.19
Rot. Bonds

About (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene

(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene (PubChem CID 137013977) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene.

Molecular Properties

Compound Name(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene
PubChem CID137013977
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene
SMILESFc1cc2cc(c1)-c1cnn3ccc(nc13)NC[C@H]1CCCN1CCCO2
InChIInChI=1S/C20H22FN5O/c21-15-9-14-10-17(11-15)27-8-2-6-25-5-1-3-16(25)12-22-19-4-7-26-20(24-19)18(14)13-23-26/h4,7,9-11,13,16H,1-3,5-6,8,12H2,(H,22,24)/t16-/m1/s1
InChIKeyKLHLBYYXDWZTGO-MRXNPFEDSA-N
XLogP3.19
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene?
The IUPAC name of (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene (CID 137013977) is (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene.
What is the SMILES notation for (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene?
The canonical SMILES for (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene is Fc1cc2cc(c1)-c1cnn3ccc(nc13)NC[C@H]1CCCN1CCCO2.
What is the InChIKey of (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene?
The InChIKey is KLHLBYYXDWZTGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-15-9-14-10-17(11-15)27-8-2-6-25-5-1-3-16(25)12-22-19-4-7-26-20(24-19)18(14)13-23-26/h4,7,9-11,13,16H,1-3,5-6,8,12H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene?
(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene has a molecular weight of 367.43 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene is sourced from PubChem (CID 137013977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).